1-[3-(aminomethyl)-2-(2-methoxy-5-methylphenyl)pyrrolidin-1-yl]ethanone

C15H22N2O2 — CID 82624293

IUPAC1-[3-(aminomethyl)-2-(2-methoxy-5-methylphenyl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccc(C)cc1C1C(CN)CCN1C(C)=O
InChIInChI=1S/C15H22N2O2/c1-10-4-5-14(19-3)13(8-10)15-12(9-16)6-7-17(15)11(2)18/h4-5,8,12,15H,6-7,9,16H2,1-3H3
InChIKeyFWNVWLJWVHLOHY-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.87
Rot. Bonds3

About 1-[3-(aminomethyl)-2-(2-methoxy-5-methylphenyl)pyrrolidin-1-yl]ethanone

1-[3-(aminomethyl)-2-(2-methoxy-5-methylphenyl)pyrrolidin-1-yl]ethanone (PubChem CID 82624293) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-2-(2-methoxy-5-methylphenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(aminomethyl)-2-(2-methoxy-5-methylphenyl)pyrrolidin-1-yl]ethanone
PubChem CID82624293
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[3-(aminomethyl)-2-(2-methoxy-5-methylphenyl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccc(C)cc1C1C(CN)CCN1C(C)=O
InChIInChI=1S/C15H22N2O2/c1-10-4-5-14(19-3)13(8-10)15-12(9-16)6-7-17(15)11(2)18/h4-5,8,12,15H,6-7,9,16H2,1-3H3
InChIKeyFWNVWLJWVHLOHY-UHFFFAOYSA-N
XLogP1.87
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)-2-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-1-yl]ethanone
CID 82623646
[3-(aminomethyl)pyrrolidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 62504749
tert-butyl 3-(aminomethyl)-2-(4-methylphenyl)pyrrolidine-1-carboxylate
CID 84814865
4-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 83652520
[2-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 43421310
1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(2-methoxy-4-methylphenoxy)ethanone
CID 124592670
tert-butyl (2S,3S)-3-amino-2-(2-methoxyphenyl)pyrrolidine-1-carboxylate
CID 124670975
[4-(bromomethyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 80678390
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone
CID 114782050
1-acetyl-N-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxamide
CID 32858300
[2-(chloromethyl)azepan-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 116639025
[2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 63753428

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-2-(2-methoxy-5-methylphenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-(aminomethyl)-2-(2-methoxy-5-methylphenyl)pyrrolidin-1-yl]ethanone (CID 82624293) is 1-[3-(aminomethyl)-2-(2-methoxy-5-methylphenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(aminomethyl)-2-(2-methoxy-5-methylphenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(aminomethyl)-2-(2-methoxy-5-methylphenyl)pyrrolidin-1-yl]ethanone is COc1ccc(C)cc1C1C(CN)CCN1C(C)=O.
What is the InChIKey of 1-[3-(aminomethyl)-2-(2-methoxy-5-methylphenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is FWNVWLJWVHLOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-4-5-14(19-3)13(8-10)15-12(9-16)6-7-17(15)11(2)18/h4-5,8,12,15H,6-7,9,16H2,1-3H3.
What are the key properties of 1-[3-(aminomethyl)-2-(2-methoxy-5-methylphenyl)pyrrolidin-1-yl]ethanone?
1-[3-(aminomethyl)-2-(2-methoxy-5-methylphenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 262.35 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-2-(2-methoxy-5-methylphenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 82624293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).